N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C160H156ClF5N12O27S2 — CID 157314486

About N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157314486) has the molecular formula C160H156ClF5N12O27S2 and a molecular weight of 2873.64 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157314486
• Molecular Formula: C160H156ClF5N12O27S2
• Molecular Weight: 2873.64 g/mol
• Exact Mass: 2871.03
• IUPAC Name: N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2C)c1.CNS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.COCCN(CCOC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.COCCN1CCN(S(=O)(=O)c2ccc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)cc2)CC1.NCc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.O=C(Nc1cc(-c2cccc(Cl)c2)ccc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
• InChI: InChI=1S/C31H35N3O6S.C31H34N2O6.C26H23FN2O4.C25H21F3N2O5S.C24H22N2O3.C23H17ClFNO3.2H2/c1-22-3-7-25(32-30(35)31(11-12-31)24-6-10-28-29(19-24)40-21-39-28)20-27(22)23-4-8-26(9-5-23)41(36,37)34-15-13-33(14-16-34)17-18-38-2;1-21-4-10-25(32-30(35)31(12-13-31)24-9-11-27-28(18-24)39-20-38-27)19-26(21)22-5-7-23(8-6-22)29(34)33(14-16-36-2)15-17-37-3;1-15-10-20(27)21(13-19(15)16-4-3-5-17(11-16)24(30)28-2)29-25(31)26(8-9-26)18-6-7-22-23(12-18)33-14-32-22;1-29-36(32,33)18-6-2-15(3-7-18)19-8-5-17(13-20(19)25(26,27)28)30-23(31)24(10-11-24)16-4-9-21-22(12-16)35-14-34-21;25-14-16-3-1-4-17(11-16)18-5-2-6-20(12-18)26-23(27)24(9-10-24)19-7-8-21-22(13-19)29-15-28-21;24-17-3-1-2-14(10-17)15-4-6-18(25)19(11-15)26-22(27)23(8-9-23)16-5-7-20-21(12-16)29-13-28-20;;/h3-10,19-20H,11-18,21H2,1-2H3,(H,32,35);4-11,18-19H,12-17,20H2,1-3H3,(H,32,35);3-7,10-13H,8-9,14H2,1-2H3,(H,28,30)(H,29,31);2-9,12-13,29H,10-11,14H2,1H3,(H,30,31);1-8,11-13H,9-10,14-15,25H2,(H,26,27);1-7,10-12H,8-9,13H2,(H,26,27);2*1H
• InChIKey: BDKVBZDZFGWWRL-UHFFFAOYSA-N
• XLogP: 28.30
• TPSA: 475.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2873.64
LogP ≤ 5	28.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157314486) is N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2C)c1.CNS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.COCCN(CCOC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.COCCN1CCN(S(=O)(=O)c2ccc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)cc2)CC1.NCc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.O=C(Nc1cc(-c2cccc(Cl)c2)ccc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].

What is the InChIKey of N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is BDKVBZDZFGWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O6S.C31H34N2O6.C26H23FN2O4.C25H21F3N2O5S.C24H22N2O3.C23H17ClFNO3.2H2/c1-22-3-7-25(32-30(35)31(11-12-31)24-6-10-28-29(19-24)40-21-39-28)20-27(22)23-4-8-26(9-5-23)41(36,37)34-15-13-33(14-16-34)17-18-38-2;1-21-4-10-25(32-30(35)31(12-13-31)24-9-11-27-28(18-24)39-20-38-27)19-26(21)22-5-7-23(8-6-22)29(34)33(14-16-36-2)15-17-37-3;1-15-10-20(27)21(13-19(15)16-4-3-5-17(11-16)24(30)28-2)29-25(31)26(8-9-26)18-6-7-22-23(12-18)33-14-32-22;1-29-36(32,33)18-6-2-15(3-7-18)19-8-5-17(13-20(19)25(26,27)28)30-23(31)24(10-11-24)16-4-9-21-22(12-16)35-14-34-21;25-14-16-3-1-4-17(11-16)18-5-2-6-20(12-18)26-23(27)24(9-10-24)19-7-8-21-22(13-19)29-15-28-21;24-17-3-1-2-14(10-17)15-4-6-18(25)19(11-15)26-22(27)23(8-9-23)16-5-7-20-21(12-16)29-13-28-20;;/h3-10,19-20H,11-18,21H2,1-2H3,(H,32,35);4-11,18-19H,12-17,20H2,1-3H3,(H,32,35);3-7,10-13H,8-9,14H2,1-2H3,(H,28,30)(H,29,31);2-9,12-13,29H,10-11,14H2,1H3,(H,30,31);1-8,11-13H,9-10,14-15,25H2,(H,26,27);1-7,10-12H,8-9,13H2,(H,26,27);2*1H.

What are the key properties of N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2873.64 g/mol, XLogP of 28.30, 40 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-2-fluorophenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-bis(2-methoxyethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157314486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).